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{
"id": "jvasp-102142",
"created_at": "2022-09-04T14:37:12.196917Z",
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{
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{
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"structure_string": "Th1 Cd2\n1.0\n5.075016 0.000000 0.000000\n-2.537508 4.395093 0.000000\n0.000000 0.000000 3.445367\nTh Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.333333 0.666667 0.500000 Cd\n0.666667 0.333333 0.500000 Cd\n",
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{
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"structure_string": "Sr8 Sn4\n1.0\n5.373053 -0.000000 0.000000\n-0.000000 8.309004 0.000000\n0.000000 0.000000 10.063290\nSr Sn\n8 4\ndirect\n0.250000 0.479296 0.182992 Sr\n0.750000 0.520703 0.817008 Sr\n0.250000 0.979296 0.317008 Sr\n0.750000 0.020703 0.682992 Sr\n0.750000 0.157914 0.074406 Sr\n0.250000 0.842085 0.925594 Sr\n0.750000 0.657914 0.425594 Sr\n0.250000 0.342085 0.574406 Sr\n0.250000 0.750459 0.605270 Sn\n0.750000 0.249541 0.394730 Sn\n0.250000 0.250459 0.894730 Sn\n0.750000 0.749540 0.105270 Sn\n",
"nsites": 12,
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"density_atomic": 0.02670983254876529,
"volume": 449.2727529493524,
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"formula_full": "Sr8 Sn4",
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{
"id": "jvasp-7822",
"created_at": "2022-09-04T14:37:06.216662Z",
"updated_at": "2022-09-04T14:37:06.216673Z",
"structure_string": "Ca3 Cd3 Ge3\n1.0\n3.680755 -6.375254 0.000000\n3.680755 6.375254 0.000000\n0.000000 -0.000000 4.455059\nCa Cd Ge\n3 3 3\ndirect\n0.582443 0.000001 0.500000 Ca\n0.000001 0.582443 0.500000 Ca\n0.417558 0.417558 0.500000 Ca\n0.744529 0.744529 0.000000 Cd\n0.255472 0.000000 0.000000 Cd\n0.000000 0.255472 0.000000 Cd\n0.666668 0.333334 0.000000 Ge\n0.333334 0.666668 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
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{
"id": "jvasp-80946",
"created_at": "2022-09-04T14:37:13.950209Z",
"updated_at": "2022-09-04T14:37:13.950218Z",
"structure_string": "Li2 Cd1 Ga1\n1.0\n-9.155880 0.000000 -5.286150\n-6.054391 0.217442 -0.085787\n-5.172594 2.711543 -1.613105\nLi Cd Ga\n2 1 1\ndirect\n0.758248 -0.000000 -0.000000 Li\n0.241752 -0.000000 -0.000000 Li\n0.500000 -0.000000 -0.000000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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{
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"created_at": "2022-09-04T14:37:15.189832Z",
"updated_at": "2022-09-04T14:37:15.189847Z",
"structure_string": "Sr2 Mg1 Cd1\n1.0\n-16.637530 0.000813 -9.604352\n-9.724919 -0.482094 -2.366942\n-8.560116 2.812468 -4.384441\nSr Mg Cd\n2 1 1\ndirect\n0.667660 0.000010 0.000009 Sr\n0.332340 -0.000009 -0.000010 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 -0.000000 Cd\n",
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{
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"created_at": "2022-09-04T14:37:15.485900Z",
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"structure_string": "Na2 Cu1 Au1 F6\n1.0\n5.127900 -0.000000 2.960595\n1.709300 4.834631 2.960595\n-0.000000 -0.000000 5.921189\nNa Cu Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Cu\n0.000000 0.000000 0.000000 Au\n0.735427 0.264572 0.264572 F\n0.264572 0.264572 0.735427 F\n0.264572 0.735427 0.735427 F\n0.264572 0.735427 0.264572 F\n0.735427 0.264572 0.735427 F\n0.735428 0.735427 0.264571 F\n",
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"formula_full": "Na2 Cu1 Au1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-58367",
"created_at": "2022-09-04T14:37:13.107399Z",
"updated_at": "2022-09-04T14:37:13.107411Z",
"structure_string": "Rb4 Li4 F8\n1.0\n5.791600 -0.000000 0.546764\n2.895800 5.553491 0.273381\n0.066391 0.000000 7.835210\nRb Li F\n4 4 8\ndirect\n0.324313 0.817976 0.568482 Rb\n0.857710 0.817976 0.931517 Rb\n0.675687 0.182023 0.431518 Rb\n0.142290 0.182023 0.068482 Rb\n0.440746 0.604869 0.139206 Li\n0.559254 0.395131 0.860794 Li\n0.045616 0.395131 0.639206 Li\n0.954384 0.604869 0.360793 Li\n0.114013 0.771973 0.250000 F\n0.316869 0.366262 0.750000 F\n0.885987 0.228026 0.750000 F\n0.683131 0.633738 0.250000 F\n0.150571 0.277870 0.415114 F\n0.571560 0.277870 0.084885 F\n0.849429 0.722130 0.584885 F\n0.428440 0.722130 0.915114 F\n",
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{
"id": "jvasp-35496",
"created_at": "2022-09-04T14:37:30.183390Z",
"updated_at": "2022-09-04T14:37:30.183411Z",
"structure_string": "Tl2 Cu1 F4\n1.0\n4.142786 -0.000000 -0.000000\n-0.000000 4.142786 -0.000000\n-2.071392 -2.071392 6.859882\nTl Cu F\n2 1 4\ndirect\n0.352733 0.352733 0.705466 Tl\n0.647268 0.647268 0.294533 Tl\n0.000000 0.000000 0.000000 Cu\n0.144011 0.144011 0.288021 F\n0.855991 0.855991 0.711979 F\n0.000000 0.500001 0.000000 F\n0.500001 0.000000 0.000000 F\n",
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{
"id": "jvasp-53484",
"created_at": "2022-09-04T14:38:11.744379Z",
"updated_at": "2022-09-04T14:38:11.744404Z",
"structure_string": "Tl1 P1 F6\n1.0\n4.625325 0.000000 2.670433\n1.541775 4.832087 2.670433\n0.000000 0.000000 5.340865\nTl P F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 P\n0.079717 0.195398 0.079717 F\n0.079717 0.195398 0.645169 F\n0.645167 0.195398 0.079717 F\n0.354830 0.804603 0.920284 F\n0.920281 0.804603 0.354832 F\n0.920281 0.804603 0.920284 F\n",
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},
{
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"structure_string": "Mg2 Sn2 F8\n1.0\n4.946117 -0.013340 -0.036168\n-0.029635 5.528197 0.226860\n-2.096785 -2.437305 6.101492\nMg Sn F\n2 2 8\ndirect\n0.753953 0.826274 0.503818 Mg\n0.247543 0.351411 0.496272 Mg\n0.990619 0.419398 0.918861 Sn\n0.520121 -0.004838 0.058191 Sn\n0.556540 0.486098 0.788581 F\n0.800583 0.763308 0.206782 F\n0.431785 0.558793 0.380861 F\n0.478006 0.068822 0.396266 F\n0.062569 0.130586 0.613607 F\n0.026717 0.616543 0.633805 F\n0.740694 0.014361 0.806422 F\n0.910531 0.256343 0.218876 F\n",
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